Tamibarotene
4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
Molecular Identity
Tamibarotene
4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
PubChem CID: 108143
Tamibarotene is a dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine. It has a role as an antineoplastic agent and a retinoic acid receptor alpha/beta agonist. It is a retinoid, a dicarboxylic acid monoamide and a member of tetralins. It is functionally related to a terephthalic acid and a 4-carbamoylbenzoic acid.
2D Structure
Properties
C22H25NO3
Molecular Formula
351.40
Molecular Weight
g/mol
351.1834
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
66.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
546
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)CIsomeric SMILES
SMILES: CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)CSynonyms(20)
Tamibarotene94497-51-5Am 80retinobenzoic acid4-((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoic acidAm80AM-80Amnoid4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acidTOS-80TINNO-507DTXSID50468534-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acidTM-411Tamibaroteno
Data from PubChem (NCBI)
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Drug Network
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